2-butyl-3-[(4-carboxyphenyl)methyl]benzimidazole-5-carboxylic acid

Systemtic Name: 2-butyl-3-[(4-carboxyphenyl)methyl]benzimidazole-5-carboxylic acid Openeye Name: 2-butyl-3-[(4-carboxyphenyl)methyl]benzimidazole-5-carboxylic acid CAS Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(4-carboxyphenyl)methyl]benzimidazole-5-carboxylic acid Traditional Name: 2-butyl-3-(4-carboxybenzyl)benzimidazole-5-carboxylic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C20H20N2O4/c1-2-3-4-18-21-16-10-9-15(20(25)26)11-17(16)22(18)12-13-5-7-14(8-6-13)19(23)24/h5-11H,2-4,12H2,1H3,(H,23,24)(H,25,26)